SCHEMBL3729317

SCHEMBL3729317

C#CC(NC(C)c1cccc2ccccc12)c1ccccc1.c1cc2ccc1-2

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.42
▸ CASR P41180 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ METAP2 P50579 1/20 0.37
▸ METAP1 P53582 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ EPHX2 P34913 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3737193 0.92 CASR (0.40) SLC6A4CASRALDH1A1METAP2METAP1
SCHEMBL3729000 0.81 SLC6A2 (0.37) SLC6A4CASRLMNAGAA
SCHEMBL3741637 0.81 ACP3 (0.44) SLC6A4CASRALDH1A1LMNA
SCHEMBL6222832 0.78 SLC6A4 (0.51) SLC6A4CASRALDH1A1METAP2METAP1
SCHEMBL28546234 0.78 SLC6A4 (0.51) SLC6A4CASRALDH1A1METAP2METAP1
Hydrochloric Acid SCHEMBL607851 0.77 ALDH1A1 (0.52) CASRALDH1A1LMNAGAA
SCHEMBL21836253 0.76 ALDH1A1 (0.53) SLC6A4CASRALDH1A1METAP2METAP1
SCHEMBL21836254 0.76 ALDH1A1 (0.53) SLC6A4CASRALDH1A1METAP2METAP1
SCHEMBL15540540 0.75 ALDH1A1 (0.54) SLC6A4CASRALDH1A1METAP2METAP1
SCHEMBL12871845 0.75 ALDH1A1 (0.54) SLC6A4CASRALDH1A1METAP2METAP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-11-04 — — US claimed
EP-2061449-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES Leo Pharma A/S (DK) 2009-05-27 — — EP claimed
WO-2008019690-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2008-02-21 — — WO claimed
US-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-11-04 — — US disclosed
EP-2061449-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES Leo Pharma A/S (DK) 2009-05-27 — — EP disclosed
WO-2008019690-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2008-02-21 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES C1R, C3AR1, PTH1R SLC6A4 2677/4885CASR 5/4885ALDH1A1 1976/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback